3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea

C12H21N7O — CID 83114638

IUPAC3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea
SMILESCCn1nc(C)c2nc(N)n(CCNC(=O)N(C)C)c21
InChIInChI=1S/C12H21N7O/c1-5-19-10-9(8(2)16-19)15-11(13)18(10)7-6-14-12(20)17(3)4/h5-7H2,1-4H3,(H2,13,15)(H,14,20)
InChIKeyKGFYFLJNRLQHNF-UHFFFAOYSA-N
MW279.35 g/mol
LogP0.41
Rot. Bonds4

About 3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea

3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea (PubChem CID 83114638) has the molecular formula C12H21N7O and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea
PubChem CID83114638
Molecular FormulaC12H21N7O
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea
SMILESCCn1nc(C)c2nc(N)n(CCNC(=O)N(C)C)c21
InChIInChI=1S/C12H21N7O/c1-5-19-10-9(8(2)16-19)15-11(13)18(10)7-6-14-12(20)17(3)4/h5-7H2,1-4H3,(H2,13,15)(H,14,20)
InChIKeyKGFYFLJNRLQHNF-UHFFFAOYSA-N
XLogP0.41
TPSA94.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea with MolForge

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Related Compounds

1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 113494979
1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305216
6-(2,2-dimethylpropyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305690
6-(2-cyclopentylethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305342
1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79284258
1-ethyl-3-methyl-6-[2-(1-methylpyrazol-3-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 106105680
2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylacetamide
CID 79297215
1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine
CID 113463957
1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 106406156
6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305542
6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79284544
3-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]ethyl]-1,1-dimethylurea
CID 83120996

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea (CID 83114638) is 3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea is CCn1nc(C)c2nc(N)n(CCNC(=O)N(C)C)c21.
What is the InChIKey of 3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea?
The InChIKey is KGFYFLJNRLQHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O/c1-5-19-10-9(8(2)16-19)15-11(13)18(10)7-6-14-12(20)17(3)4/h5-7H2,1-4H3,(H2,13,15)(H,14,20).
What are the key properties of 3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea?
3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea has a molecular weight of 279.35 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83114638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).